oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate

C9H17NO4 — CID 66000997

IUPACoxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCC(O)(CN)CC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO4/c1-9(12,6-10)4-8(11)14-7-2-3-13-5-7/h7,12H,2-6,10H2,1H3
InChIKeyGYMJZDRVJFMAGE-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.58
Rot. Bonds4

About oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate

oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate (PubChem CID 66000997) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Nameoxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
PubChem CID66000997
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameoxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCC(O)(CN)CC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO4/c1-9(12,6-10)4-8(11)14-7-2-3-13-5-7/h7,12H,2-6,10H2,1H3
InChIKeyGYMJZDRVJFMAGE-UHFFFAOYSA-N
XLogP-0.58
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-amino-3-hydroxy-3-methylbutanoate hydrochloride
CID 13528793
4-Amino-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 56923756
Tert-butyl 4-amino-2,3-dihydroxybutanoate
CID 57357484
(3R,4S)-4-Boc-amino-3-hydroxytetrahydrofuran
CID 69150601
2-Ethoxyethyl 4-amino-3-hydroxybutanoate
CID 87708403
tert-butyl (3S)-4-amino-3-hydroxybutanoate
CID 87764254
Tert-butyl 4-amino-3-hydroxybutanoate
CID 91475237
Oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride
CID 122539256
oxolan-3-yl (2S)-2-amino-3-hydroxy-3-methylbutanoate;hydrochloride
CID 122539258
(3R)-4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 141112952
(3S)-4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 141112956
4-Amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 151760205

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate (CID 66000997) is oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate is CC(O)(CN)CC(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is GYMJZDRVJFMAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(12,6-10)4-8(11)14-7-2-3-13-5-7/h7,12H,2-6,10H2,1H3.
What are the key properties of oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate?
oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 203.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 66000997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).